1-(2,4-diisothiocyanatopentan-3-yl)-4-methyl-benzene

Systemtic Name: 1-(2,4-diisothiocyanatopentan-3-yl)-4-methyl-benzene Openeye Name: 1-[2-isothiocyanato-1-(1-isothiocyanatoethyl)propyl]-4-methyl-benzene CAS Name: 1-(2,4-diisothiocyanatopentan-3-yl)-4-methylbenzene IUPAC Name: 1-(2,4-diisothiocyanatopentan-3-yl)-4-methylbenzene Traditional Name: 1-[2-isothiocyanato-1-(1-isothiocyanatoethyl)propyl]-4-methyl-benzene Formula: C14H16N2S2 MolecularWeight: 276.42024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C)N=C=S)C(C)N=C=S

Isomeric SMILES

CC1=CC=C(C=C1)C(C(C)N=C=S)C(C)N=C=S

InChI

InChI=1S/C14H16N2S2/c1-10-4-6-13(7-5-10)14(11(2)15-8-17)12(3)16-9-18/h4-7,11-12,14H,1-3H3